In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 13 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.31 | 1.65 | -5.9 | 2 | 3 | 0 | 52 | 179.219 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.31 | 2.04 | -39.21 | 3 | 3 | 1 | 54 | 180.227 | 4 | ↓ |